bis(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-10-yl)-dimethylsilane

C30H22N2Si — CID 59221951

IUPACbis(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-10-yl)-dimethylsilane
SMILESC[Si](C)(c1cn2c3ccccc3c3cccc1c32)c1cn2c3ccccc3c3cccc1c32
InChIInChI=1S/C30H22N2Si/c1-33(2,27-17-31-25-15-5-3-9-19(25)21-11-7-13-23(27)29(21)31)28-18-32-26-16-6-4-10-20(26)22-12-8-14-24(28)30(22)32/h3-18H,1-2H3
InChIKeySXBNAPCVKBPXHT-UHFFFAOYSA-N
MW438.61 g/mol
LogP6.50
Rot. Bonds2

About bis(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-10-yl)-dimethylsilane

bis(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-10-yl)-dimethylsilane (PubChem CID 59221951) has the molecular formula C30H22N2Si and a molecular weight of 438.61 g/mol. Its IUPAC name is bis(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-10-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-10-yl)-dimethylsilane
PubChem CID59221951
Molecular FormulaC30H22N2Si
Molecular Weight438.61 g/mol
Exact Mass438.16
IUPAC Namebis(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-10-yl)-dimethylsilane
SMILESC[Si](C)(c1cn2c3ccccc3c3cccc1c32)c1cn2c3ccccc3c3cccc1c32
InChIInChI=1S/C30H22N2Si/c1-33(2,27-17-31-25-15-5-3-9-19(25)21-11-7-13-23(27)29(21)31)28-18-32-26-16-6-4-10-20(26)22-12-8-14-24(28)30(22)32/h3-18H,1-2H3
InChIKeySXBNAPCVKBPXHT-UHFFFAOYSA-N
XLogP6.50
TPSA8.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.61
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-bromo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9(16),10,12,14-heptaen-4-one
CID 21252817
19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299
6,13-diazahexacyclo[11.10.1.02,6.07,12.014,19.020,24]tetracosa-1(23),2,4,7,9,11,14,16,18,20(24),21-undecaene
CID 121385973
1-ethyl-9-methylcarbazole
CID 21455608
CID 176917271
CID 176917271
9-phenyl-11,16-diazaoctacyclo[14.10.1.14,8.02,15.03,12.017,22.023,27.011,28]octacosa-1(26),2(15),3(12),4,6,8(28),9,13,17,19,21,23(27),24-tridecaene
CID 177285992
9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole
CID 23399530
32-oxa-20-azanonacyclo[18.10.1.19,12.02,19.04,17.05,10.011,16.021,26.027,31]dotriaconta-1(30),2(19),3,5(10),6,8,11(16),12,14,17,21,23,25,27(31),28-pentadecaene
CID 166096162
trimethyl-(13-methyl-3,8-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaen-10-yl)silane
CID 59221871
9-iodo-1-methylcarbazole
CID 134316149
1-fluoro-9-methylcarbazole
CID 139447921
5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 59221908

Frequently Asked Questions

What is the IUPAC name of bis(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-10-yl)-dimethylsilane?
The IUPAC name of bis(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-10-yl)-dimethylsilane (CID 59221951) is bis(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-10-yl)-dimethylsilane.
What is the SMILES notation for bis(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-10-yl)-dimethylsilane?
The canonical SMILES for bis(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-10-yl)-dimethylsilane is C[Si](C)(c1cn2c3ccccc3c3cccc1c32)c1cn2c3ccccc3c3cccc1c32.
What is the InChIKey of bis(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-10-yl)-dimethylsilane?
The InChIKey is SXBNAPCVKBPXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2Si/c1-33(2,27-17-31-25-15-5-3-9-19(25)21-11-7-13-23(27)29(21)31)28-18-32-26-16-6-4-10-20(26)22-12-8-14-24(28)30(22)32/h3-18H,1-2H3.
What are the key properties of bis(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-10-yl)-dimethylsilane?
bis(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-10-yl)-dimethylsilane has a molecular weight of 438.61 g/mol, XLogP of 6.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-10-yl)-dimethylsilane is sourced from PubChem (CID 59221951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).